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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Sitagliptin Carbamoyl β-D-Glucuronide

O=C(O[C@H]1OC(C(=O)O)[C@@H]([C@H]([C@H]1O)O)O)N[C@H](Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F Request for Quotation
Chemical Name: Sitagliptin Carbamoyl β-D-Glucuronide
CAS Number: 940002-59-5
Product Number: AG005W3B(AGN-PC-0WAHWS)
Synonyms:
MDL No:
Molecular Formula: C23H23F6N5O9
Molecular Weight: 627.4472

Identification/Properties

Computed Properties
Molecular Weight:
627.453g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
17
Rotatable Bond Count:
8
Exact Mass:
627.14g/mol
Monoisotopic Mass:
627.14g/mol
Topological Polar Surface Area:
197A^2
Heavy Atom Count:
43
Formal Charge:
0
Complexity:
1030
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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